1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

C20H16FN5OS — CID 53123571

IUPAC1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H16FN5OS/c21-15-3-5-16(6-4-15)26-19(14-7-10-22-11-8-14)18(24-25-26)20(27)23-12-9-17-2-1-13-28-17/h1-8,10-11,13H,9,12H2,(H,23,27)
InChIKeyHQFURORYAVVGCU-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 53123571) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID53123571
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H16FN5OS/c21-15-3-5-16(6-4-15)26-19(14-7-10-22-11-8-14)18(24-25-26)20(27)23-12-9-17-2-1-13-28-17/h1-8,10-11,13H,9,12H2,(H,23,27)
InChIKeyHQFURORYAVVGCU-UHFFFAOYSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (CID 53123571) is 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is O=C(NCCc1cccs1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is HQFURORYAVVGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c21-15-3-5-16(6-4-15)26-19(14-7-10-22-11-8-14)18(24-25-26)20(27)23-12-9-17-2-1-13-28-17/h1-8,10-11,13H,9,12H2,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 53123571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).